SCHEMBL214960

SCHEMBL214960

CC(=S)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX1 P07099 1/20 0.45
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
RECQL P46063 1/20 0.42
PDE4B Q07343 1/20 0.41
NR1H2 P55055 1/20 0.41
PREP P48147 1/20 0.40
USP30 Q70CQ3 1/20 0.40
CHEK2 O96017 1/20 0.40
GPR119 Q8TDV5 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29244745 0.88 HPGD (0.52) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL4334069 0.88 HPGD (0.52) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL3955730 0.85 HPGD (0.52) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL24611623 0.85 HPGD (0.52) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL19434590 0.85 HPGD (0.47) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL22388002 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL2523813 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL21993750 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6498939 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A
SCHEMBL6498946 0.84 HPGD (0.51) HPGDMEN1ALDH1A1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-02-23 US disclosed
US-8088823-B2 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS AG (AT) 2012-01-03 US disclosed
EP-1501495-B1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI NABRIVA THERAPEUTICS AG (AT) 2010-09-08 EP disclosed
US-7790749-B2 Use of pleuromutilins for the treatment of disorders caused by Helicobacter pylori NABRIVA THERAPEUTICS AG (AT) 2010-09-07 US disclosed
EP-1875903-B1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES NABRIVA THERAPEUTICS AG (AT) 2010-07-28 EP disclosed
EP-1875903-A1 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Nabriva Therapeutics Forschungs GmbH (AT) 2008-01-09 EP disclosed
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives NABRIVA THERAPEUTICS FORSCHUNGS GMBH (AT) 2007-11-22 US disclosed
US-20050215637-A1 Tuberculosis treatment ASCHER GERD 2005-09-29 US disclosed
US-20050131023-A1 Use of pleuromutilins for the treatment of disorders caused by helicobacter pylori HONG KONG KING-FRIEND INDUSTRIAL COMPANY LTD. (CN) 2005-06-16 US disclosed
EP-1501495-A1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI Sandoz AG (CH) 2005-02-02 EP disclosed
EP-1492518-A2 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES Sandoz AG (CH) 2005-01-05 EP disclosed
WO-2003090740-A1 USE OF PLEUROMUTILINS FOR THE TREATMENT OF DISORDERS CAUSED BY HELICOBACTER PYLORI SANDOZ AG (CH) 2003-11-06 WO disclosed
WO-2003082260-A2 TUBERCULOSIS TREATMENT USING PLEUROMUTILIN DERIVATIVES SANDOZ AG (CH) 2003-10-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050131023-A1 Use of pleuromutilins for the treatment of disorders caused by helicobacter pylori FABP6, PLEC, UBQLN2 HPGD 281/4885MEN1 626/4885ALDH1A1 979/4885
US-20050215637-A1 Tuberculosis treatment TTR, TST, TREH HPGD 929/4885MEN1 1178/4885ALDH1A1 797/4885
US-20070270404-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH HPGD 1480/4885MEN1 559/4885ALDH1A1 1152/4885
US-20120046276-A1 Tuberculosis treatment using pleuromutilin derivatives PLEC, TTR, TREH HPGD 1480/4885MEN1 559/4885ALDH1A1 1152/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.